6-氨基青霉烷酸(551-16-6)Raman光譜
分子式:C8H12N2O3S
分子量: 216.26
InChI:InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-N
Smiles:N12[C@@]([H])([C@H](N)C1=O)SC(C)(C)[C@@H]2C(O)=O
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Mass
MS-NW-4560
6-aminopenicillanic acid
C8H12N2O3S (Mass of molecular ion: 216)
Source Temperature: 210 °C
Sample Temperature: 170 °C
Direct, 75 eV
12.0 1.4
15.0 3.2
16.0 3.9
17.0 4.9
18.0 16.6
22.0 1.1
26.0 1.2
27.0 8.6
28.0 17.6
29.0 14.0
30.0 37.3
32.0 4.8
33.0 4.7
34.0 12.2
36.0 1.0
38.0 1.4
39.0 11.8
40.0 2.8
41.0 14.4
42.0 9.8
43.0 9.2
44.0 100.0
45.0 9.6
46.0 2.1
47.0 4.0
48.0 3.1
51.0 1.3
52.0 1.2
53.0 6.2
54.0 4.0
55.0 13.7
56.0 4.6
57.0 9.2
58.0 2.8
59.0 8.3
60.0 2.3
61.0 3.1
62.0 2.4
67.0 1.7
68.0 3.0
69.0 12.0
70.0 6.7
71.0 3.2
72.0 1.1
73.0 3.5
74.0 13.4
75.0 63.1
76.0 3.1
77.0 3.2
80.0 1.2
81.0 1.8
82.0 5.5
83.0 6.2
84.0 1.5
85.0 2.3
86.0 1.7
87.0 7.9
88.0 2.4
89.0 1.4
94.0 1.1
95.0 1.8
96.0 1.7
97.0 4.1
98.0 16.3
99.0 4.8
100.0 8.9
101.0 1.3
109.0 1.2
110.0 1.1
111.0 1.0
112.0 1.8
114.0 27.2
115.0 4.4
116.0 13.1
117.0 1.0
123.0 1.3
126.0 1.1
127.0 5.1
128.0 1.0
138.0 1.3
139.0 1.1
142.0 2.5
160.0 56.7
161.0 4.9
162.0 3.0
172.0 2.6
183.0 3.3
216.0 6.0